CAS Number: 6864-37-5
SMILES : NC(C(CC(C1)CC(CCC(N)C2C)C2)C)C1
CHEM   : Cyclohexanamine, 4,4 -methylenebis[2-methyl-
MOL FOR: C15 H30 N2 
MOL WT : 238.42
------------------------------ EPI SUMMARY (v4.11) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  4.10
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  334.41  (Adapted Stein & Brown method)
    Melting Pt (deg C):  104.39  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.95  (Modified Grain method)
    VP (Pa, 25 deg C) :  926  (Modified Grain method)
    BP  (exp database):  96.5 deg C
    Subcooled liquid VP: 41.5 mm Hg (25 deg C, Mod-Grain method)
                       : 5.53E+003 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  87.93
       log Kow used: 4.10 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1667.5 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Aliphatic Amines
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.00E-009  atm-m3/mole  (8.11E-004 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  2.480E-002 atm-m3/mole  (2.512E+003 Pa-m3/mole)
      VP:   6.95 mm Hg (source: MPBPVP)
      WS:   87.9 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.10  (KowWin est)
  Log Kaw used:  -6.485  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.585
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9417
   Biowin2 (Non-Linear Model)     :   0.8633
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7212  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5903  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3127
   Biowin6 (MITI Non-Linear Model):   0.0216
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5741
 Ready Biodegradability Prediction:   NO
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  5.53E+003 Pa (41.5 mm Hg)
  Log Koa (Koawin est  ): 10.585
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.42E-010 
       Octanol/air (Koa) model:  0.00944 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.96E-008 
       Mackay model           :  4.34E-008 
       Octanol/air (Koa) model:  0.43 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 119.9076 E-12 cm3/molecule-sec
      Half-Life =     0.089 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.070 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      3.15E-008 (Junge-Pankow, Mackay avg)
      0.43 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1195  L/kg (MCI method)
      Log Koc:  3.078       (MCI method)
      Koc    :  300.5  L/kg (Kow method)
      Log Koc:  2.478       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
    Rate constants can NOT be estimated for this structure!
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.372 (BCF = 235.6 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.0927 days (HL = 12.38 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.015 (BCF = 1036)
   Log BAF Arnot-Gobas method (upper trophic) = 3.044 (BAF = 1107)
       log Kow used: 4.10 (estimated)
 
 Volatilization from Water:
    Henry LC:  8E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:  1.13E+005  hours   (4709 days)
    Half-Life from Model Lake : 1.233E+006  hours   (5.137E+004 days)
 
 Removal In Wastewater Treatment:
    Total removal:              34.83  percent
    Total biodegradation:        0.36  percent
    Total sludge adsorption:    34.47  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0363          2.14         1000       
   Water     14.2            900          1000       
   Soil      84.8            1.8e+003     1000       
   Sediment  0.944           8.1e+003     0          
     Persistence Time: 1.43e+003 hr